ChemSpider 2D Image | (3beta,14beta,17alpha)-24-Hydroxy-22-oxoolean-12-en-3-yl beta-L-talopyranosyl-(1->2)-beta-L-talopyranosyl-(1->2)-beta-L-altropyranosiduronic acid | C48H76O19

(3β,14β,17α)-24-Hydroxy-22-oxoolean-12-en-3-yl β-L-talopyranosyl-(1->2)-β-L-talopyranosyl-(1->2)-β-L-altropyranosiduronic acid

  • Molecular FormulaC48H76O19
  • Average mass957.106 Da
  • Monoisotopic mass956.498108 Da
  • ChemSpider ID88298390

  • defined stereocentres - 24 of 24 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(3β,14β,17α)-24-Hydroxy-22-oxoolean-12-en-3-yl β-L-talopyranosyl-(1->2)-β-L-talopyranosyl-(1->2)-β-L-altropyranosiduronic acid [ACD/IUPAC Name]
(3β,14β,17α)-24-Hydroxy-22-oxoolean-12-en-3-yl-β-L-talopyranosyl-(1->2)-β-L-talopyranosyl-(1->2)-β-L-altropyranosiduronsäure [German] [ACD/IUPAC Name]
Acide β-L-talopyranosyl-(1->2)-β-L-talopyranosyl-(1->2)-β-L-altropyranosiduronique de (3β,14β,17α)-24-hydroxy-22-oxooléan-12-én-3-yle [French] [ACD/IUPAC Name]
Olean-12-en-22-one, 24-hydroxy-3-[[O-β-L-talopyranosyl-(1->2)-O-β-L-talopyranosyl-(1->2)-β-L-altropyranuronosyl]oxy]-, (3β,14β,17α)- [ACD/Index Name]
135272-91-2 [RN]
Sandosaponin A

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 1055.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 174.9±6.0 kJ/mol
Flash Point: 301.0±27.8 °C
Index of Refraction: 1.627
Molar Refractivity: 234.9±0.4 cm3
#H bond acceptors: 19
#H bond donors: 11
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 4
ACD/LogP: 5.37
ACD/LogD (pH 5.5): 0.96
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.63
ACD/LogD (pH 7.4): -0.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 312 Å2
Polarizability: 93.1±0.5 10-24cm3
Surface Tension: 76.7±5.0 dyne/cm
Molar Volume: 662.3±5.0 cm3

Click to predict properties on the Chemicalize site


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